3-prop-2-enylpyrrolidin-3-ol

C7H13NO — CID 79735120

IUPAC3-prop-2-enylpyrrolidin-3-ol
SMILESC=CCC1(O)CCNC1
InChIInChI=1S/C7H13NO/c1-2-3-7(9)4-5-8-6-7/h2,8-9H,1,3-6H2
InChIKeyLAVCOZISGICVLN-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds2

About 3-prop-2-enylpyrrolidin-3-ol

3-prop-2-enylpyrrolidin-3-ol (PubChem CID 79735120) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-prop-2-enylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-prop-2-enylpyrrolidin-3-ol
PubChem CID79735120
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-prop-2-enylpyrrolidin-3-ol
SMILESC=CCC1(O)CCNC1
InChIInChI=1S/C7H13NO/c1-2-3-7(9)4-5-8-6-7/h2,8-9H,1,3-6H2
InChIKeyLAVCOZISGICVLN-UHFFFAOYSA-N
XLogP0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(prop-2-enyl)cyclohexane-1,4-diol
CID 15275260
1-prop-2-enylcyclooctan-1-ol
CID 12640793
1-prop-2-enylcyclododecan-1-ol
CID 11770111
1-prop-2-enylcyclodecan-1-ol
CID 102287484
3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 86277019
4,4-difluoro-1-prop-2-enylcyclohexan-1-ol
CID 122552753
(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 129407519
3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride
CID 46941652
3-(azocan-1-ylmethyl)pyrrolidin-3-ol
CID 84679274
1-(3-methylpyrrolidin-3-yl)pent-4-en-1-one
CID 116569923
1,1-dioxo-3-prop-2-enylthian-3-ol
CID 165441258
3-[(cyclopropylamino)methyl]pyrrolidin-3-ol;hydrochloride
CID 19805339

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylpyrrolidin-3-ol?
The IUPAC name of 3-prop-2-enylpyrrolidin-3-ol (CID 79735120) is 3-prop-2-enylpyrrolidin-3-ol.
What is the SMILES notation for 3-prop-2-enylpyrrolidin-3-ol?
The canonical SMILES for 3-prop-2-enylpyrrolidin-3-ol is C=CCC1(O)CCNC1.
What is the InChIKey of 3-prop-2-enylpyrrolidin-3-ol?
The InChIKey is LAVCOZISGICVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-7(9)4-5-8-6-7/h2,8-9H,1,3-6H2.
What are the key properties of 3-prop-2-enylpyrrolidin-3-ol?
3-prop-2-enylpyrrolidin-3-ol has a molecular weight of 127.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylpyrrolidin-3-ol is sourced from PubChem (CID 79735120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).