[1-(2-chloroprop-2-enyl)azepan-4-yl]methanol

C10H18ClNO — CID 130758179

IUPAC[1-(2-chloroprop-2-enyl)azepan-4-yl]methanol
SMILESC=C(Cl)CN1CCCC(CO)CC1
InChIInChI=1S/C10H18ClNO/c1-9(11)7-12-5-2-3-10(8-13)4-6-12/h10,13H,1-8H2
InChIKeyURPDTRYWFFOCTA-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.83
Rot. Bonds3

About [1-(2-chloroprop-2-enyl)azepan-4-yl]methanol

[1-(2-chloroprop-2-enyl)azepan-4-yl]methanol (PubChem CID 130758179) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is [1-(2-chloroprop-2-enyl)azepan-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloroprop-2-enyl)azepan-4-yl]methanol
PubChem CID130758179
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name[1-(2-chloroprop-2-enyl)azepan-4-yl]methanol
SMILESC=C(Cl)CN1CCCC(CO)CC1
InChIInChI=1S/C10H18ClNO/c1-9(11)7-12-5-2-3-10(8-13)4-6-12/h10,13H,1-8H2
InChIKeyURPDTRYWFFOCTA-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloroprop-2-enyl)-4-methylazepane
CID 130709084
2-[4-(hydroxymethyl)azepan-1-yl]acetohydrazide
CID 130906138
N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241265
[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol
CID 103069109
[1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol
CID 164655973
(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161409
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid
CID 112626149
2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 71967809
N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95291109
(1-prop-2-enylpiperidin-4-yl)methanol
CID 60768656
[(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol
CID 124679316

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloroprop-2-enyl)azepan-4-yl]methanol?
The IUPAC name of [1-(2-chloroprop-2-enyl)azepan-4-yl]methanol (CID 130758179) is [1-(2-chloroprop-2-enyl)azepan-4-yl]methanol.
What is the SMILES notation for [1-(2-chloroprop-2-enyl)azepan-4-yl]methanol?
The canonical SMILES for [1-(2-chloroprop-2-enyl)azepan-4-yl]methanol is C=C(Cl)CN1CCCC(CO)CC1.
What is the InChIKey of [1-(2-chloroprop-2-enyl)azepan-4-yl]methanol?
The InChIKey is URPDTRYWFFOCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(11)7-12-5-2-3-10(8-13)4-6-12/h10,13H,1-8H2.
What are the key properties of [1-(2-chloroprop-2-enyl)azepan-4-yl]methanol?
[1-(2-chloroprop-2-enyl)azepan-4-yl]methanol has a molecular weight of 203.71 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroprop-2-enyl)azepan-4-yl]methanol is sourced from PubChem (CID 130758179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).