4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile

C16H15N3 — CID 175374569

IUPAC4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile
SMILESC/C=C/c1cc(C#N)ccc1[C@H]1CCc2cncn21
InChIInChI=1S/C16H15N3/c1-2-3-13-8-12(9-17)4-6-15(13)16-7-5-14-10-18-11-19(14)16/h2-4,6,8,10-11,16H,5,7H2,1H3/b3-2+/t16-/m1/s1
InChIKeyKGLDVTRLCULDQE-WOMSROEHSA-N
MW249.32 g/mol
LogP3.32
Rot. Bonds2

About 4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile

4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile (PubChem CID 175374569) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile.

Molecular Properties

Compound Name4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile
PubChem CID175374569
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile
SMILESC/C=C/c1cc(C#N)ccc1[C@H]1CCc2cncn21
InChIInChI=1S/C16H15N3/c1-2-3-13-8-12(9-17)4-6-15(13)16-7-5-14-10-18-11-19(14)16/h2-4,6,8,10-11,16H,5,7H2,1H3/b3-2+/t16-/m1/s1
InChIKeyKGLDVTRLCULDQE-WOMSROEHSA-N
XLogP3.32
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[(5S)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 66886510
4-[(5S)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile;phosphoric acid
CID 129317926
3-butoxy-4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)benzonitrile
CID 58827054
4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-(2-oxopentyl)benzonitrile
CID 148703486
3-(5-methyl-1,2-oxazol-4-yl)-4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile
CID 70317903
4-(5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-5-yl)-3-pyridin-3-ylbenzonitrile
CID 143417117
2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
CID 59835487
3-fluoro-4-[(5S)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 71293803
3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 67216150
acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole
CID 145129274
3-[5-[[4-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]sulfonyl]piperazin-1-yl]methyl]imidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonitrile
CID 123673507
4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzaldehyde
CID 14097198

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile?
The IUPAC name of 4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile (CID 175374569) is 4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile.
What is the SMILES notation for 4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile?
The canonical SMILES for 4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile is C/C=C/c1cc(C#N)ccc1[C@H]1CCc2cncn21.
What is the InChIKey of 4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile?
The InChIKey is KGLDVTRLCULDQE-WOMSROEHSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-3-13-8-12(9-17)4-6-15(13)16-7-5-14-10-18-11-19(14)16/h2-4,6,8,10-11,16H,5,7H2,1H3/b3-2+/t16-/m1/s1.
What are the key properties of 4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile?
4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile has a molecular weight of 249.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-[(E)-prop-1-enyl]benzonitrile is sourced from PubChem (CID 175374569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).