ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine

C13H22N2 — CID 145149548

IUPACethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine
SMILESC/C=C\N=C1C(=C\C)/C=C(C)N/1C.CC
InChIInChI=1S/C11H16N2.C2H6/c1-5-7-12-11-10(6-2)8-9(3)13(11)4;1-2/h5-8H,1-4H3;1-2H3/b7-5-,10-6-,12-11+;
InChIKeyZKPOBRGBQJWDCV-ZXXFSEHVSA-N
MW206.33 g/mol
LogP3.74
Rot. Bonds1

About ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine

ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine (PubChem CID 145149548) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine.

Molecular Properties

Compound Nameethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine
PubChem CID145149548
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine
SMILESC/C=C\N=C1C(=C\C)/C=C(C)N/1C.CC
InChIInChI=1S/C11H16N2.C2H6/c1-5-7-12-11-10(6-2)8-9(3)13(11)4;1-2/h5-8H,1-4H3;1-2H3/b7-5-,10-6-,12-11+;
InChIKeyZKPOBRGBQJWDCV-ZXXFSEHVSA-N
XLogP3.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethylidene)-N,N-diethylazepin-2-amine
CID 85836515
N'-[3-[2-fluoroethyl(hexa-3,5-dien-3-yl)amino]-2-methylbuta-1,3-dienyl]-N,N-dimethylethanimidamide
CID 123669469
(E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide
CID 130439404
4-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 155197749
(3Z)-N-(fluoromethyl)-1,5-dimethyl-3-propylidenepyrrol-2-imine
CID 173750636
N,N-diethyl-4-methyl-3H-azepin-2-amine
CID 12218528
N,N-diethyl-6-methyl-3H-azepin-2-amine
CID 12218529
N,N-diethyl-5-methyl-3H-azepin-2-amine
CID 12218538
N,N-diethyl-3,5,7-trimethyl-3H-azepin-2-amine
CID 12218545
N,N-diethyl-3,5-dimethyl-3H-azepin-2-amine
CID 85790494
2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
CID 134989134
6-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 142309011

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine?
The IUPAC name of ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine (CID 145149548) is ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine.
What is the SMILES notation for ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine?
The canonical SMILES for ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine is C/C=C\N=C1C(=C\C)/C=C(C)N/1C.CC.
What is the InChIKey of ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine?
The InChIKey is ZKPOBRGBQJWDCV-ZXXFSEHVSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-5-7-12-11-10(6-2)8-9(3)13(11)4;1-2/h5-8H,1-4H3;1-2H3/b7-5-,10-6-,12-11+;.
What are the key properties of ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine?
ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine has a molecular weight of 206.33 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine is sourced from PubChem (CID 145149548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).