N-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine

C10H14N2 — CID 142160173

IUPACN-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine
SMILESC=c1cc[nH]/c1=C(CC)/N=C/C
InChIInChI=1S/C10H14N2/c1-4-9(11-5-2)10-8(3)6-7-12-10/h5-7,12H,3-4H2,1-2H3/b10-9+,11-5+
InChIKeyMQJRVMKTDFZDJK-PNGXCIJNSA-N
MW162.24 g/mol
LogP1.03
Rot. Bonds2

About N-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine

N-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine (PubChem CID 142160173) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine.

Molecular Properties

Compound NameN-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine
PubChem CID142160173
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine
SMILESC=c1cc[nH]/c1=C(CC)/N=C/C
InChIInChI=1S/C10H14N2/c1-4-9(11-5-2)10-8(3)6-7-12-10/h5-7,12H,3-4H2,1-2H3/b10-9+,11-5+
InChIKeyMQJRVMKTDFZDJK-PNGXCIJNSA-N
XLogP1.03
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 129706333
(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine
CID 138713182
(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 170047278
(1E,3E)-1-(ethylideneamino)-2-methyl-N-(2,2,2-trifluoroethyl)hexa-1,3-dien-3-amine
CID 173699246
10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
CID 91195157
(6Z)-1H-Pyrrolo[2,3-d]azocine
CID 121232937
Dihydropyrrolo[3,2-c]azepine
CID 129861020
[(2E)-3,7-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 54465705
1,7-Dihydropyrrolo[3,2-c]azepine
CID 56997363
1,5-Dihydropyrrolo[2,3-c]azepine
CID 57325040
3-(1,3-dihydropyrrol-3-id-2-yl)-2H-pyridin-2-ide;yttrium
CID 58813407
6,7-Dihydro-1,7-naphthyridine
CID 58988416

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine?
The IUPAC name of N-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine (CID 142160173) is N-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine.
What is the SMILES notation for N-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine?
The canonical SMILES for N-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine is C=c1cc[nH]/c1=C(CC)/N=C/C.
What is the InChIKey of N-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine?
The InChIKey is MQJRVMKTDFZDJK-PNGXCIJNSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-9(11-5-2)10-8(3)6-7-12-10/h5-7,12H,3-4H2,1-2H3/b10-9+,11-5+.
What are the key properties of N-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine?
N-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine has a molecular weight of 162.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-(3-methylidene-1H-pyrrol-2-ylidene)propyl]ethanimine is sourced from PubChem (CID 142160173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).