N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine

C10H15N3 — CID 163799948

IUPACN-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine
SMILESC/C=C/CNC1Cc2nccn2C1
InChIInChI=1S/C10H15N3/c1-2-3-4-11-9-7-10-12-5-6-13(10)8-9/h2-3,5-6,9,11H,4,7-8H2,1H3/b3-2+
InChIKeyNECCMNMFCMWCOA-NSCUHMNNSA-N
MW177.25 g/mol
LogP0.97
Rot. Bonds3

About N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine

N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine (PubChem CID 163799948) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine
PubChem CID163799948
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine
SMILESC/C=C/CNC1Cc2nccn2C1
InChIInChI=1S/C10H15N3/c1-2-3-4-11-9-7-10-12-5-6-13(10)8-9/h2-3,5-6,9,11H,4,7-8H2,1H3/b3-2+
InChIKeyNECCMNMFCMWCOA-NSCUHMNNSA-N
XLogP0.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 123331763
(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol
CID 10855545
ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 153334198
7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131232949
N-[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetamide
CID 175007001
(6R)-6-[(2-methylpropan-2-yl)oxy]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 139402727
(6R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid
CID 96635834
2-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86771999
N-methyl-1-[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methanamine
CID 98013239
4-ethoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide
CID 112532976
6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574985
4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide
CID 86772130

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine?
The IUPAC name of N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine (CID 163799948) is N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine is C/C=C/CNC1Cc2nccn2C1.
What is the InChIKey of N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine?
The InChIKey is NECCMNMFCMWCOA-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-3-4-11-9-7-10-12-5-6-13(10)8-9/h2-3,5-6,9,11H,4,7-8H2,1H3/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine?
N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine has a molecular weight of 177.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine is sourced from PubChem (CID 163799948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).