1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol

C10H19N3O — CID 134406296

IUPAC1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol
SMILESC/C(N)=C/C=CC(N)N1CCC(O)C1
InChIInChI=1S/C10H19N3O/c1-8(11)3-2-4-10(12)13-6-5-9(14)7-13/h2-4,9-10,14H,5-7,11-12H2,1H3/b4-2?,8-3-
InChIKeyLEVBTVQWUSAZNN-ZGVMDFCPSA-N
MW197.28 g/mol
LogP-0.24
Rot. Bonds3

About 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol

1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol (PubChem CID 134406296) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol
PubChem CID134406296
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol
SMILESC/C(N)=C/C=CC(N)N1CCC(O)C1
InChIInChI=1S/C10H19N3O/c1-8(11)3-2-4-10(12)13-6-5-9(14)7-13/h2-4,9-10,14H,5-7,11-12H2,1H3/b4-2?,8-3-
InChIKeyLEVBTVQWUSAZNN-ZGVMDFCPSA-N
XLogP-0.24
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol (CID 134406296) is 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol is C/C(N)=C/C=CC(N)N1CCC(O)C1.
What is the InChIKey of 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol?
The InChIKey is LEVBTVQWUSAZNN-ZGVMDFCPSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(11)3-2-4-10(12)13-6-5-9(14)7-13/h2-4,9-10,14H,5-7,11-12H2,1H3/b4-2?,8-3-.
What are the key properties of 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol?
1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol has a molecular weight of 197.28 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-1,5-diaminohexa-2,4-dienyl]pyrrolidin-3-ol is sourced from PubChem (CID 134406296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).